Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(C)(C(=O)NCc2ccccc2)CC1 |
MW: | 443.19 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 95.58 |
cLogP: | 3.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7156270613 |
MolPort: | MolPort-010-666-979 |
Hetero_hetero
NAU-LAT-f723e322-5
0.483
SAD-SAT-f0a2747f-5
0.391
SAD-SAT-2fd372d1-2
0.326
SAD-SAT-2ceae68f-3
0.311
DAN-MCD-1c3944e2-1
0.302
MAR-TRE-6a44bbf2-13
0.300
RHE-UNK-eb059eb9-1
0.300
AAR-POS-0daf6b7e-3
0.300
WAR-XCH-79d12f6e-6
0.300
GIA-UNK-3f36037a-6
0.292
DAN-MCD-9b81d1fa-1
0.290
DAN-MCD-b3a5626f-1
0.290
MAR-TRE-f6f5f473-90
0.284
MAR-TRE-3e4e6814-14
0.278
JAR-IMP-ed466bb3-19
0.275
MAT-GRU-7002a1a0-1
0.274
MAT-POS-b5746674-53
0.274
AAR-UNI-c25c2f1e-35
0.271
WIL-LEE-23e8b574-1
0.267
MAT-POS-b5746674-55
0.264
WAR-XCH-79d12f6e-1
0.264
WAR-XCH-b0339bbe-12
0.264
MAR-TRE-fd17a9b8-74
0.263
AAR-UNI-c25c2f1e-2
0.260
WIL-UNI-1faa9b10-51
0.260
AAR-POS-d2a4d1df-36
0.258
ANT-DIA-b7f58f21-4
0.253
SAD-SAT-135344c3-2
0.252
MAK-UNK-194150d3-1
0.250
JOH-UNI-c7afdb96-15
0.250
GIA-UNK-3f36037a-5
0.250
MAR-TRE-fd17a9b8-56
0.248
MAR-TRE-3e4e6814-84
0.248
BEN-DND-362d364a-1
0.248
MAR-TRE-f6f5f473-21
0.246
MAR-TRE-f6f5f473-55
0.245
NIC-BIO-3276ca7f-4
0.245
AHN-SAT-de2502ba-13
0.245
MAR-TRE-6a44bbf2-83
0.245
AAR-UNI-c25c2f1e-31
0.245
AAR-POS-0daf6b7e-45
0.244
UNK-UNK-2ede4078-7
0.243
MAK-UNK-e4a48a85-10
0.243
DAV-IMP-59dd6621-27
0.243
ALP-POS-a3de0cb1-6
0.243
MAK-UNK-194150d3-11
0.243
NIC-BIO-3276ca7f-7
0.243
MAR-TRE-6a44bbf2-28
0.242
MAK-UNK-7c9d1431-23
0.242
DAN-MCD-5390ac8b-1
0.241
PAT-GYR-de8eec61-1
0.240
MAK-UNK-c44f4be0-1
0.239
DAN-MCD-34fd4f29-1
0.239
MAR-LAB-ff9967db-9
0.239
YUN-WES-58b0dbae-2
0.239
YUN-WES-64c64eb2-1
0.239
BAR-COM-0f94fc3d-4
0.239
ROD-UFR-87309d29-1
0.238
MAK-UNK-69bf97dd-9
0.238
DRA-CSI-47e38074-2
0.238
DRA-CSI-47e38074-8
0.238
BEN-DND-03406596-1
0.237
BEN-DND-76ad4ac9-9
0.237
MAR-TRE-6a44bbf2-8
0.237
DRR-IMP-dff87f5e-5
0.237
AAR-POS-d2a4d1df-34
0.237
AAR-UNI-c25c2f1e-62
0.236
MAR-SOS-c7881798-9
0.236
MAK-UNK-009ebe36-7
0.236
MAR-SOS-82e3a7c7-9
0.236
NAU-LAT-64f4b287-9
0.236
JUA-UNI-b93289a4-4
0.236
MAR-TRE-a3327163-36
0.236
AAR-UNI-c25c2f1e-21
0.236
MAR-TRE-3159af1a-14
0.236
AAR-UNI-c25c2f1e-9
0.235
DUN-NEW-f8ce3686-25
0.235
SAD-SAT-65574d3f-8
0.235
AHN-SAT-de2502ba-12
0.235
MAR-TRE-6a44bbf2-20
0.235
JAN-GHE-4287bd1a-1
0.234
ANT-OPE-7824651a-2
0.234
MAK-UNK-7264f48c-2
0.234
DRA-CSI-47e38074-3
0.233
DRA-CSI-47e38074-12
0.233
ERI-BAS-bd3ef700-1
0.233
MAR-TRE-04c86cea-6
0.233
MAR-TRE-a78003aa-42
0.232
MAR-TRE-799db12b-9
0.232
NIC-BIO-b40446ce-2
0.232
AAR-UNI-c25c2f1e-51
0.232
MAR-TRE-4f781e27-48
0.231
ADR-MCR-f276533c-1
0.230
MAR-TRE-f5c2d31c-22
0.230
MAK-UNK-942dcb71-18
0.230
MAK-UNK-7264f48c-6
0.229
SAD-SAT-135344c3-1
0.229
MAR-TRE-a3327163-30
0.229
SAD-SAT-29425be4-29
0.229
MAR-TRE-3e4e6814-5
0.229